SCHEMBL4687250

SCHEMBL4687250

Cc1ccc(S(=O)(=O)OCCC[O])cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HTT P42858 2/20 0.44
PKM P14618 2/20 0.41
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8923582 0.90 LMNA (0.48) LMNATDP1ALDH1A1HTTPKM
SCHEMBL5663959 0.87 CA2 (0.50) LMNATDP1ALDH1A1HTTPKM
SCHEMBL4687253 0.85 ALDH1A1 (0.46) LMNATDP1ALDH1A1HTTPKM
SCHEMBL11883632 0.84 RECQL (0.46) LMNATDP1ALDH1A1HTTPKM
SCHEMBL5501025 0.84 RECQL (0.46) LMNATDP1ALDH1A1HTTPKM
SCHEMBL11880300 0.84 RECQL (0.46) LMNATDP1ALDH1A1HTTPKM
SCHEMBL11880309 0.84 RECQL (0.46) LMNATDP1ALDH1A1HTTPKM
SCHEMBL4687415 0.81 LMNA (0.47) LMNATDP1ALDH1A1HTTPKM
SCHEMBL8923591 0.81 LMNA (0.47) LMNATDP1ALDH1A1HTTPKM
SCHEMBL1759342 0.81 ALDH1A1 (0.46) LMNAALDH1A1HTTCA2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed